# EXCLUDED_RESIDUES HETATM # PDBID_LIST 3ccw # POINT_FILE ./pocket_res_ptf/3ccw_4HI_B_1.ptf # PROPERTIES ATOM_TYPE_IS_C, ATOM_TYPE_IS_CT, ATOM_TYPE_IS_CA, # PROPERTIES ATOM_TYPE_IS_N, ATOM_TYPE_IS_N2, ATOM_TYPE_IS_N3, # PROPERTIES ATOM_TYPE_IS_NA, ATOM_TYPE_IS_O, ATOM_TYPE_IS_O2, # PROPERTIES ATOM_TYPE_IS_OH, ATOM_TYPE_IS_S, ATOM_TYPE_IS_SH, # PROPERTIES ATOM_TYPE_IS_OTHER, PARTIAL_CHARGE, ELEMENT_IS_ANY, # PROPERTIES ELEMENT_IS_C, ELEMENT_IS_N, ELEMENT_IS_O, ELEMENT_IS_S, # PROPERTIES ELEMENT_IS_OTHER, HYDROXYL, AMIDE, AMINE, CARBONYL, # PROPERTIES RING_SYSTEM, PEPTIDE, VDW_VOLUME, CHARGE, NEG_CHARGE, # PROPERTIES POS_CHARGE, CHARGE_WITH_HIS, HYDROPHOBICITY, MOBILITY, # PROPERTIES SOLVENT_ACCESSIBILITY, RESIDUE_NAME_IS_ALA, # PROPERTIES RESIDUE_NAME_IS_ARG, RESIDUE_NAME_IS_ASN, RESIDUE_NAME_IS_ASP, # PROPERTIES RESIDUE_NAME_IS_CYS, RESIDUE_NAME_IS_GLN, RESIDUE_NAME_IS_GLU, # PROPERTIES RESIDUE_NAME_IS_GLY, RESIDUE_NAME_IS_HIS, RESIDUE_NAME_IS_ILE, # PROPERTIES RESIDUE_NAME_IS_LEU, RESIDUE_NAME_IS_LYS, RESIDUE_NAME_IS_MET, # PROPERTIES RESIDUE_NAME_IS_PHE, RESIDUE_NAME_IS_PRO, RESIDUE_NAME_IS_SER, # PROPERTIES RESIDUE_NAME_IS_THR, RESIDUE_NAME_IS_TRP, RESIDUE_NAME_IS_TYR, # PROPERTIES RESIDUE_NAME_IS_VAL, RESIDUE_NAME_IS_HOH, # PROPERTIES RESIDUE_NAME_IS_OTHER, RESIDUE_CLASS1_IS_HYDROPHOBIC, # PROPERTIES RESIDUE_CLASS1_IS_CHARGED, RESIDUE_CLASS1_IS_POLAR, # PROPERTIES RESIDUE_CLASS1_IS_UNKNOWN, RESIDUE_CLASS2_IS_NONPOLAR, # PROPERTIES RESIDUE_CLASS2_IS_POLAR, RESIDUE_CLASS2_IS_BASIC, # PROPERTIES RESIDUE_CLASS2_IS_ACIDIC, RESIDUE_CLASS2_IS_UNKNOWN, # PROPERTIES SECONDARY_STRUCTURE1_IS_3HELIX, SECONDARY_STRUCTURE1_IS_4HELIX, # PROPERTIES SECONDARY_STRUCTURE1_IS_5HELIX, SECONDARY_STRUCTURE1_IS_BRIDGE, # PROPERTIES SECONDARY_STRUCTURE1_IS_STRAND, SECONDARY_STRUCTURE1_IS_TURN, # PROPERTIES SECONDARY_STRUCTURE1_IS_BEND, SECONDARY_STRUCTURE1_IS_COIL, # PROPERTIES SECONDARY_STRUCTURE1_IS_HET, SECONDARY_STRUCTURE1_IS_UNKNOWN, # PROPERTIES SECONDARY_STRUCTURE2_IS_HELIX, SECONDARY_STRUCTURE2_IS_BETA, # PROPERTIES SECONDARY_STRUCTURE2_IS_COIL, SECONDARY_STRUCTURE2_IS_HET, # PROPERTIES SECONDARY_STRUCTURE2_IS_UNKNOWN # SHELLS 6 # SHELL_WIDTH 1.25 # VERBOSITY 0 Env_3ccw_0 0 1 0 0 0 0 0 0 0 0 0 0 0 -0.0518 1 1 0 0 0 0 0 0 0 0 0 1 33.51 0 0 0 0 0 0 49 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 0 0 1 0 0 0 0 0 0 0 0 1 0 0 0 0 2 1 0 2 0 0 0 1 0 0 0 0 0 -0.3149 6 3 2 1 0 0 0 2 0 1 0 5 140.298 0 0 0 0 -2 1 196 0 0 0 0 0 0 0 0 0 0 4 0 1 0 0 1 0 0 0 0 0 0 5 0 1 0 5 1 0 0 0 0 6 0 0 0 0 0 0 0 0 6 0 0 0 0 0 2 0 0 0 0 0 1 0 0 0 0 0 -0.6268 3 2 0 1 0 0 0 0 0 1 0 1 78.514 0 0 0 0 1 5 98 0 0 0 0 0 0 0 0 0 0 2 0 0 0 0 1 0 0 0 0 0 0 2 0 1 0 2 1 0 0 0 0 3 0 0 0 0 0 0 0 0 3 0 0 0 0 2 6 0 3 0 0 1 3 0 2 0 0 0 -3.756 17 8 4 5 0 0 2 3.5 0.5 3 1 10 399.866 0 0 0 0.5 -6 14 155 3 0 0 0 0 0 1 1 1 0 3 0 3 0 0 5 0 0 0 0 0 0 9 1 6 1 9 6 1 1 0 0 16 0 0 0 0 1 0 0 0 16 1 0 0 0 4 12 3 3 1 0 0 1 0 0 1 0 0 -0.8845 25 19 4 1 1 0 0 3.5 0.5 1 3 13 714.636 0.333 0 0.333 0.333 2 29 290 6 1 0 0 0 0 3 2 3 0 6 0 3 0 0 1 0 0 0 0 0 0 15 4 4 2 15 3 4 3 0 0 21 0 0 0 0 4 0 0 0 21 4 0 0 0 3 10 1 3 1 0 1 4 1 0 1 0 0 -4.1198 25 14 5 5 1 0 0 3.5 1.5 4.5 1 13 619.97 0.666 0.333 0.333 1.166 -2 36 400 6 2 0 0 0 0 2 1 3 0 5 0 3 0 0 3 0 0 0 0 0 0 14 4 6 1 14 4 5 2 0 0 20 0 0 0 1 4 0 0 0 20 5 0 0 0 # -20.1 8.37 43.36 Env_3ccw_1 0 1 0 0 0 0 0 0 0 0 0 0 0 0.0337 1 1 0 0 0 0 0 0 0 0 0 1 33.51 0 0 0 0 0 0 33 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 0 0 1 0 0 0 0 0 0 0 0 1 0 0 0 0 2 1 0 2 0 0 0 1 0 0 0 0 0 -0.3872 6 3 2 1 0 0 0 2 0 1 0 5 140.298 0 0 0 0 -2 1 153 5 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 6 0 0 0 6 0 0 0 0 0 6 0 0 0 0 0 0 0 0 6 0 0 0 0 0 0 0 0 0 0 0 2 0 0 0 0 0 -1.1358 2 0 0 2 0 0 0 0 0 2 0 2 22.988 0 0 0 0 -2 0 49 1 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 2 0 0 0 2 0 0 0 0 0 2 0 0 0 0 0 0 0 0 2 0 0 0 0 4 6 0 3 1 0 0 3 0 0 0 0 0 -1.9694 17 10 4 3 0 0 0 3.5 0.5 3 0 13 436.422 0.333 0 0.333 0.333 -4 9 692 6 1 0 0 0 0 0 0 2 0 5 0 2 0 0 1 0 0 0 0 0 0 13 1 3 0 13 1 3 0 0 0 13 0 0 0 2 0 2 0 0 13 2 2 0 0 3 9 1 4 1 0 0 2 0 0 0 0 0 -1.8396 20 13 5 2 0 0 0 4.5 0.5 2 0 13 526.664 0.666 0 0.666 0.666 -2 21 929 5 2 0 0 0 0 0 1 2 0 7 0 2 0 0 1 0 0 0 0 0 0 14 2 3 1 14 2 4 0 0 0 14 0 0 0 4 0 2 0 0 14 4 2 0 0 3 10 0 1 1 0 0 5 0 3 1 0 0 -4.0315 24 13 2 8 1 0 3 1 1 5 0 11 605.808 0 0 0 0 -3 25 909 2 1 0 0 0 0 0 3 1 0 5 2 2 0 0 5 3 0 0 0 0 0 9 3 9 3 9 11 4 0 0 0 13 0 0 0 5 5 1 0 0 13 10 1 0 0 # -21 11.44 47.2 Env_3ccw_2 0 1 0 0 0 0 0 0 0 0 0 0 0 0.0397 1 1 0 0 0 0 0 0 0 0 0 1 33.51 0 0 0 0 0 0 61 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 1 0 0 0 0 0 0 0 1 0 0 0 0 1 0 0 0 2 1 0 2 0 0 0 1 0 0 0 0 0 -0.3241 6 3 2 1 0 0 0 2 0 1 0 5 140.298 0 0 0 0 -2 1 291 0 0 0 0 0 0 4 1 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 4 1 1 0 2 0 4 0 0 0 0 0 0 1 4 1 0 0 0 5 1 0 0 0 1 0 0 0 0 0 1 0 0 0 0 0 -0.5543 2 1 0 1 0 0 0 0 0 1 0 1 45.004 0 0 0 0 0 2 78 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 1 1 0 0 1 0 1 0 0 0 0 0 0 0 1 1 0 0 0 1 1 0 0 3 4 0 1 0 0 0 2 2 2 0 0 0 -2.2187 14 7 1 6 0 0 2 1 0 3 0 8 321.352 0.999 0.999 0 0.999 -7 16 363 0 0 0 0 3 0 3 3 0 0 0 0 0 0 0 0 5 0 0 0 0 0 0 3 8 3 0 11 0 3 0 0 0 0 0 0 6 3 5 0 0 0 9 5 0 0 3 9 0 4 0 0 0 2 1 0 0 1 0 -2.4225 20 12 4 3 1 0 0.5 4 0 2.5 0 10 509.383 0.666 0.666 0 0.666 -3 19 383 2 0 0 2 5 0 0 0 0 0 5 0 0 0 0 0 6 0 0 0 0 0 7 2 11 0 7 11 0 2 0 0 5 0 1 0 6 0 8 0 0 5 7 8 0 0 4 9 0 4 0 1 0 2 3 0 0 0 0 -4.3046 23 13 5 5 0 0 0 4 1 3.5 0 12 588.448 1.999 0.999 1 1.999 -6 30 624 0 0 3 3 5 0 2 5 0 0 2 1 0 0 0 0 1 0 0 1 0 0 3 6 9 5 3 14 1 5 0 5 6 0 2 0 3 3 4 0 0 11 8 4 0 0 # -9.58 0.27 45.66